43666 <common-name>metolachlor-morpholinon</common-name> <description nil="true"/> <cas>120375-14-6</cas> <pubchem-id>179957</pubchem-id> <chemical-formula>C14H19NO2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T09:58:08Z</created-at> <updated-at type="dateTime">2026-03-25T19:17:04Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1=CC=CC(C)=C1N1C(C)COCC1=O</moldb-smiles> <moldb-formula>C14H19NO2</moldb-formula> <moldb-inchi>InChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-11(3)8-17-9-13(15)16/h5-7,11H,4,8-9H2,1-3H3</moldb-inchi> <moldb-inchikey>DVBDYPDVNRJKNJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">233.311</moldb-average-mass> <moldb-mono-mass type="decimal">233.141578856</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>156619</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM042561</chemdb-id> <dsstox-id>DTXSID30891443</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>EAWAG</stoff-ident-origin> <stoff-ident-id>SI00000572</stoff-ident-id> <susdat-id>NS00000059</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>29.540000000000003</moldb-polar-surface-area> <moldb-refractivity>67.6235</moldb-refractivity> <moldb-polarizability>25.890895638461387</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>15.833784743302466</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.195221586920337</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.38</moldb-alogps-logp> <moldb-alogps-logs>-1.70</moldb-alogps-logs> <moldb-alogps-solubility>4.62e+00 g/l</moldb-alogps-solubility> </compound>